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      subroutine gcor(a,a1,b1,b2,b3,b4,p,rs,gg,ggrs)
c  called by subroutines ldaec and ldauc
      implicit double precision (a-h,o-z)
      p1 = p + 1.d0
      q0 = -2.d0*a*(1.d0+a1*rs)
      rs12 = dsqrt(rs)
      rs32 = rs12**3
      rsp = rs**p
      q1 = 2.d0*a*(b1*rs12+b2*rs+b3*rs32+b4*rs*rsp)
      q2 = dlog(1.d0+1.d0/q1)
      gg = q0*q2
      q3 = a*(b1/rs12+2.d0*b2+3.d0*b3*rs12+2.d0*b4*p1*rsp)
      ggrs = -2.d0*a*a1*q2-q0*q3/(q1**2+q1)
      return
      end